SCHEMBL3976665

SCHEMBL3976665

Cc1onc(-c2ccc(Cl)cc2)c1C(=O)c1cc(C(=O)OCC2CC2)n(C(N)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GPBAR1 Q8TDU6 4/20 0.40
GABRA5 P31644 2/20 0.40
LMNA P02545 4/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
GHSR Q92847 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
BACE1 P56817 1/20 0.37
P2RY12 Q9H244 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3984576 0.91 CACNA1F (0.41) TDP1KDM4EBACE1P2RY12POLB
SCHEMBL3977190 0.91 POLB (0.46) LMNATDP1KDM4EP2RY12POLB
SCHEMBL3976103 0.91 TDP1 (0.43) NPC1GPBAR1GABRA5TDP1KDM4E
SCHEMBL3975866 0.91 BACE1 (0.43) GPBAR1LMNATP53KDM4EBACE1
SCHEMBL3977472 0.90 GABRA5 (0.38) NPC1GABRA5KDM4EBACE1P2RY12
SCHEMBL3979619 0.87 CACNA1F (0.40) LMNATP53TDP1KDM4EBACE1
SCHEMBL3973247 0.86 GABRA5 (0.43) GPBAR1GABRA5TDP1KDM4EP2RY12
SCHEMBL3982811 0.86 ATM (0.43) TDP1KDM4EBACE1P2RY12POLB
SCHEMBL3978253 0.83 HPGD (0.41) NPC1GPBAR1GABRA5LMNATP53
SCHEMBL3977560 0.81 P2RY12 (0.39) GPBAR1LMNATDP1KDM4EP2RY12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US claimed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP claimed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP claimed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO claimed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US claimed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1931661-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-06-18 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 NPC1 2057/4885GPBAR1 214/4885GABRA5 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.